(S)-Mandelic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO001420

Outputs for (S)-Mandelic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001420
Synonyms: (S)-Mandelate, (S)-Mandelic acid, (S)-2-Hydroxy-2-phenylacetic acid, (S)-2-Hydroxy-2-phenylacetate
Total mass: 152.147
Formula: H8 C8 O3

Experimental information

MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:01.537883

Results for the quried mass "107.8"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7O1	0.337	8	1	C1,C2,C3,C4,C5,C6,C7,O9
C5O3	0.252	0	0	C3,C5,C6,C7,C8,O9,O10,O11
C5O3	0.252	0	0	C2,C4,C6,C7,C8,O9,O10,O11
C5O3	0.252	0	0	C4,C5,C6,C7,C8,O9,O10,O11